7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C13H24N2O — CID 114948266

IUPAC7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCN(C)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O/c1-5-7-15(4)9-13(14)10-6-8-16-11(10)12(13,2)3/h5,10-11H,1,6-9,14H2,2-4H3
InChIKeyRIEUQXDFVPSXHD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.25
Rot. Bonds4

About 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948266) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948266
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCN(C)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O/c1-5-7-15(4)9-13(14)10-6-8-16-11(10)12(13,2)3/h5,10-11H,1,6-9,14H2,2-4H3
InChIKeyRIEUQXDFVPSXHD-UHFFFAOYSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[[2,2-Difluoroethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113654471
7,7-Dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947346
6-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947718
7,7-Dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947734
7,7-Dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948112
7,7-dimethyl-6-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948420
N'-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994234
2-N-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189447
6-[[2-Methoxyethyl(prop-2-enyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103339463
6-[[[1-(Dimethylamino)cyclobutyl]methyl-methylamino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105421245
6-[(2,4-Dimethylpiperazin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105590966
6-[[Cyclobutylmethyl(ethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 107399448

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948266) is 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is C=CCN(C)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is RIEUQXDFVPSXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-7-15(4)9-13(14)10-6-8-16-11(10)12(13,2)3/h5,10-11H,1,6-9,14H2,2-4H3.
What are the key properties of 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 224.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[methyl(prop-2-enyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).